bmse010110 G-b-S-r-S at BMRB

G-b-S-r-S
bmse010110 - data

G-b-S-r-S

Molecular Formula: C32 H38 O12
Natural Isotopic Abundance Mass: 614.63692
Mono-Isotopic Molecular Masses: C12N14: 614.236326685; C13N14: 646.3436814946; C12N15: 614.236326685; C13N15: 646.3436814946

G-b-S-r-S

InCHi String:
InChI=1/C32H38O12/c1-37-22-8-16(6-7-21(22)34)28(35)27(13-33)44-32-25(40-4)11-18(12-26(32)41-5)31-20-15-42-30(19(20)14-43-31)17-9-23(38-2)29(36)24(10-17)39-3/h6-12,19-20,27-28,30-31,33-36H,13-15H2,1-5H3

Canonical and Isomeric SMILES:
COC1=C(C=CC(=C1)C(C(CO)OC2=C(C=C(C=C2OC)C5C4COC(C3=CC(=C(C(=C3)OC)O)OC)C4CO5)OC)O)O

Lignin abbreviation
G-b-S-r-S

PubChem Substance (SID):   111677992
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 183
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.